2-Acetylphenothiazine
TL;DR: 2-Acetylphenothiazine (CAS 6631-94-3) is a chemical compound with molecular formula C14H11NOS and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(10H-phenothiazin-2-yl)ethanone
Also Known As: 2-Acetylphenothiazine, 1-(10H-Phenothiazin-2-yl)ethanone, ML171, 2-acetyl phenothiazine, 2-APT compound
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 6631-94-3 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2 |
| InChIKey | JWGBOHJGWOPYCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetylphenothiazine (CAS 6631-94-3), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 1-(10H-phenothiazin-2-yl)ethanone.
Chemical Property Profile of 2-Acetylphenothiazine
Property Insights of 2-Acetylphenothiazine
The XLogP value of 3.8 indicates that 2-Acetylphenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Acetylphenothiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylphenothiazine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Acetylphenothiazine?
The CAS number of 2-Acetylphenothiazine is 6631-94-3.
What is the molecular formula of 2-Acetylphenothiazine?
The molecular formula of 2-Acetylphenothiazine is C14H11NOS.
What is the molecular weight of 2-Acetylphenothiazine?
The molecular weight of 2-Acetylphenothiazine is 241.06 g/mol.
Where can I buy 2-Acetylphenothiazine?
You can request a quote for 2-Acetylphenothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylphenothiazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylphenothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.